<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>

COPY SCRIPT

For further information contact us at helpdesk@openaire.eu

Identification of novel Fourth-Generation Allosteric Inhibitors Targeting EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach

descriptionPublicationkeyboard_double_arrow_right Journal 07 Jul 2024 English Publisher:Zenodo

Authors: Bhanja, Kousik Kumar; Patra, Niladri;

doi: 10.5281/zenodo.12682256 , 10.5281/zenodo.12682257

Identification of novel Fourth-Generation Allosteric Inhibitors Targeting EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach

- Summary
- Related research
  (1)
- Metrics

Abstract

The entire dataset of screening pipelines, predicted factors, a list of 2D descriptors, a list of quantum chemical descriptors obtained from DFT, descriptors obtained after PCA and code for this generation, a Jupyter notebook for machine learning containing code for different mutation models.

Related Organizations

Indian Institute of Technology Dhanbad
India

1 Research products, page of 1

Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average

Found an issue? Give us feedback

Average

Green

Upload OA version

Are you the author? Do you have the OA version of this publication?

uploadUpload now!